3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: 3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: 3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide CAS Name: 3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: 3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: 3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(4-pyrrolidinosulfonylphenyl)acrylamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OCC#N

InChI

InChI=1S/C22H23N3O5S/c1-29-21-16-17(4-10-20(21)30-15-12-23)5-11-22(26)24-18-6-8-19(9-7-18)31(27,28)25-13-2-3-14-25/h4-11,16H,2-3,13-15H2,1H3,(H,24,26)